Materials Data on RbCoH24(C7N4)2 by Materials Project
RbCo(CN)6(N(CH3)4)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one RbCo(CN)6 framework. In the RbCo(CN)6 framework, Rb1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (3.14 Å) and four longer (3.30 Å) Rb–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. There is two shorter (1.88 Å) and four longer (1.89 Å) Co–C bond length. There are five inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. In the third C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fifth C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the third N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. The N–Rb bond length is 3.30 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. The N–Rb bond length is 3.30 Å. The N–C bond length is 1.17 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1285302
- Report Number(s):
- mp-698210
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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